Manniflavanone

Compound Structure:

Synonyms:

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one; Manniflavanone

Compound ID:

NMPC-1226

PubChem ID:

198549

Molecular Formula:

C30H22O13

Canonical SMILES:

C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)C(C(O5)C6=CC(=C(C=C6)O)O)O)O)O

InChIKey:

UKRJEVDCOVVSAB-BENTYHEHSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	590.5 g/mol
XLogP3-AA	3.3
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	3
Exact Mass	590.10604075 g/mol
Monoisotopic Mass	590.10604075 g/mol
Topological Polar Surface Area	235Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Garcinia mannii

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